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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:33 UTC
Update Date2025-03-25 00:47:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159220
Frequency0.5
Structure
Chemical FormulaC12H14ClN2O7P
Molecular Mass364.0227
SMILESO=P(O)(O)OCC1OC(n2cnc3ccc(Cl)cc32)C(O)C1O
InChI KeyVBUGEAUXLQMOKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classbenzimidazole ribonucleosides and ribonucleotides
Subclass benzimidazole ribonucleosides and ribonucleotides
Direct Parent benzimidazole ribonucleosides and ribonucleotides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • benzimidazoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkyl phosphates
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • organochloride
  • monosaccharide
  • pentose-5-phosphate
  • organohalogen compound
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • benzimidazole
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • n-substituted imidazole
  • aryl chloride
  • alcohol
  • azacycle
  • 1-ribofuranosylbenzimidazole
  • tetrahydrofuran
  • heteroaromatic compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound